Vitas-M small molecule compound
4-chloro-3-methylphenyl 4-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)benzoate
Catalog ID
STK381245
SMILES O=C1N(c2ccc(cc2)C(=O)Oc2ccc(c(c2)C)Cl)C(=O)C2C1C1C=CC2C2C1C2
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C25H20ClNO4 MW 433.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20ClNO4/c1-12-10-15(6-9-20(12)26)31-25(30)13-2-4-14(5-3-13)27-23(28)21-16-7-8-17(19-11-18(16)19)22(21)24(27)29/h2-10,16-19,21-22H,11H2,1H3InChIKey
XTNUHXVQLGCDKM-UHFFFAOYSA-NSynonyms
4chloro3methylphenyl4(13dioxooctahydro46ethenocyclopropa(f)isoindol2(1H)yl)benzoate
CC1=C(C=CC(=C1)OC(=O)C2=CC=C(C=C2)N3C(=O)C4C5C=CC(C4C3=O)C6C5C6)Cl
InChI=1SC25H20ClNO4c1121015(6920(12)26)3125(30)132414(5313)2723(28)21167817(191118(16)19)22(21)24(27)29h21016192122H11H21H3
MFCD02314723
ZINC000239433487
ZINC000239433490
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